Geometry & MOs

Info

ID:	348006
PubChem CID:	127273068
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	383.224263
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	7.12
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CC=C2)N3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations